SCHEMBL10058347

SCHEMBL10058347

CC(C)c1cnc2c(C(C)C)nccc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PSMD14 O00487 1/20 0.32
COPS5 Q92905 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17705189 0.84 ADORA2A (0.37) CCR1CCR5CCR8KCNH2HRH4
SCHEMBL18779069 0.82 CCR1 (0.57) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL18791200 0.81 CCR1 (0.33) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL18791475 0.81 PAK4 (0.37) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL13706081 0.81 CCR1 (0.52) CCR1CCR5CCR8KCNH2HRH4
SCHEMBL24109755 0.78 PDE4A (0.32) CCR1CCR5CCR8KCNH2HRH4
SCHEMBL10058360 0.75 KCNH2 (0.32) KCNH2HRH4HRH3
SCHEMBL25054661 0.75 CLK1 (0.45) CCR1CCR5CCR8
SCHEMBL21377459 0.74 CCR1 (0.62) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL13707462 0.73 CCR1 (0.70) CCR1CCR5CCR8KCNH2HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 WO disclosed
US-20170312277-A1 Compounds for Treatment of Fibrosis Diseases CUREGENIX, INC. (CN) 2017-11-02 US disclosed
US-9744169-B2 Compounds for treatment of fibrosis diseases CUREGENIX, INC. (CN) 2017-08-29 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
US-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX, INC. (CN) 2017-03-16 US disclosed
US-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX, INC. (CN) 2017-03-16 US disclosed
US-9556144-B2 Compound as WNT signaling inhibitor, composition, and use thereof CUREGENIX, INC. (CN) 2017-01-31 US disclosed
US-20160000780-A1 Compounds for Treatment of Cancer CUREGENIX, INC. (CN) 2016-01-07 US disclosed
US-20160000779-A1 Compounds for Treatment of Fibrosis Diseases CUREGENIX, INC. (CN) 2016-01-07 US disclosed
US-20150119387-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof CUREGENIX INC. (CN) 2015-04-30 US disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160000779-A1 Compounds for Treatment of Fibrosis Diseases WNT1, WNT3A, WNT3 CCR1 82/4885CCR5 208/4885CCR8 225/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CCR1 2100/4885CCR5 2726/4885CCR8 1996/4885
US-20170073344-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof WNT1, WNT3A, SFRP1 CCR1 3869/4885CCR5 2869/4885CCR8 4125/4885
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX CCR1 1903/4885CCR5 2444/4885CCR8 3943/4885
US-20170312277-A1 Compounds for Treatment of Fibrosis Diseases WNT1, SFRP1, WNT3 CCR1 442/4885CCR5 350/4885CCR8 697/4885
US-20150119387-A1 Compound as WNT Signaling Inhibitor, Composition, and Use Thereof WNT1, WNT3A, SFRP1 CCR1 3831/4885CCR5 2939/4885CCR8 4045/4885
US-20160000780-A1 Compounds for Treatment of Cancer WNT1, CTNNB1, WNT3 CCR1 3570/4885CCR5 2652/4885CCR8 3403/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.